(phenylmethyl) 3-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: (phenylmethyl) 3-(4-nitrophenyl)sulfanylpropanoate Openeye Name: benzyl 3-(4-nitrophenyl)sulfanylpropanoate CAS Name: 3-[(4-nitrophenyl)thio]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-nitrophenyl)thio]propionic acid benzyl ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO4S/c18-16(21-12-13-4-2-1-3-5-13)10-11-22-15-8-6-14(7-9-15)17(19)20/h1-9H,10-12H2